(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C14H13NO6 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=[N+](C=C2)[O-])C(=O)OC

InChI

InChI=1S/C14H13NO6/c1-9-12(14(17)19-2)7-11(21-9)8-20-13(16)10-3-5-15(18)6-4-10/h3-7H,8H2,1-2H3